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CHEBI:218313 - Tenvermectin D

ChEBI IDCHEBI:218313
ChEBI NameTenvermectin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H70O14
Net Charge0
Average Mass847.052
Monoisotopic Mass846.47656
SMILESCC[C@H]1/C=C/C=C2\CO[C@@H]3[C@@H](O)C(C)=C[C@@H](C(=O)O[C@H]4C[C@@H](C/C=C(\C)[C@H]1O[C@H]1C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O1)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C4)[C@]23O
InChIInChI=1S/C46H70O14/c1-10-30-12-11-13-31-23-53-43-39(47)26(4)18-34(46(31,43)50)44(49)56-33-19-32(60-45(22-33)17-16-24(2)27(5)59-45)15-14-25(3)41(30)57-38-21-36(52-9)42(29(7)55-38)58-37-20-35(51-8)40(48)28(6)54-37/h11-14,18,24,27-30,32-43,47-48,50H,10,15-17,19-23H2,1-9H3/b12-11+,25-14+,31-13-/t24-,27+,28-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39-,40-,41+,42-,43+,45-,46+/m0/s1
InChIKeyLRRLXHFQOQAAEL-SWYUXLLTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (27329378)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Tenvermectin D (CHEBI:218313) is a milbemycin (CHEBI:50345)
IUPAC Name 
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21S,24S)-13-ethyl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6',11,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Manual XrefsDatabases
78441807ChemSpider